2-[3-(chloromethyl)-1-cyclopropyl-2,2-dimethylcyclopropyl]thiophene

C13H17ClS — CID 130489133

IUPAC2-[3-(chloromethyl)-1-cyclopropyl-2,2-dimethylcyclopropyl]thiophene
SMILESCC1(C)C(CCl)C1(c1cccs1)C1CC1
InChIInChI=1S/C13H17ClS/c1-12(2)10(8-14)13(12,9-5-6-9)11-4-3-7-15-11/h3-4,7,9-10H,5-6,8H2,1-2H3
InChIKeyYLNBBFGZKPIJOG-UHFFFAOYSA-N
MW240.80 g/mol
LogP4.29
Rot. Bonds3

About 2-[3-(chloromethyl)-1-cyclopropyl-2,2-dimethylcyclopropyl]thiophene

2-[3-(chloromethyl)-1-cyclopropyl-2,2-dimethylcyclopropyl]thiophene (PubChem CID 130489133) has the molecular formula C13H17ClS and a molecular weight of 240.80 g/mol. Its IUPAC name is 2-[3-(chloromethyl)-1-cyclopropyl-2,2-dimethylcyclopropyl]thiophene.

Molecular Properties

Compound Name2-[3-(chloromethyl)-1-cyclopropyl-2,2-dimethylcyclopropyl]thiophene
PubChem CID130489133
Molecular FormulaC13H17ClS
Molecular Weight240.80 g/mol
Exact Mass240.07
IUPAC Name2-[3-(chloromethyl)-1-cyclopropyl-2,2-dimethylcyclopropyl]thiophene
SMILESCC1(C)C(CCl)C1(c1cccs1)C1CC1
InChIInChI=1S/C13H17ClS/c1-12(2)10(8-14)13(12,9-5-6-9)11-4-3-7-15-11/h3-4,7,9-10H,5-6,8H2,1-2H3
InChIKeyYLNBBFGZKPIJOG-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.80
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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CID 81358092
1,7,7-trimethyl-2-thiophen-2-ylbicyclo[2.2.1]heptan-2-ol
CID 20530285
(2-ethyl-3,3-dimethyl-2-thiophen-2-ylcyclopropyl)methanamine
CID 130488688
2-(1-bicyclo[2.2.2]octanyl)thiophene
CID 140617889
2-methyl-2-thiophen-2-yl-1,3-dioxole
CID 141238164
1,2-dimethyl-2-thiophen-2-ylpiperidin-4-one
CID 83639401
N-[(3-propyl-1-thiophen-2-ylcyclobutyl)methyl]cyclopropanamine
CID 65014158
4-(dimethylamino)-4-thiophen-2-ylcyclohexan-1-ol
CID 138514846
trans-(1S,2S)-2-methyl-2-thiophen-2-ylcyclopropane-1-carboxylic acid
CID 94252878
2-propyl-1-thiophen-2-ylcyclopropan-1-ol
CID 79332590
3-methyl-1-thiophen-2-ylcyclopentan-1-ol
CID 64513369
N-[(2-methyl-2-thiophen-2-ylcyclopropyl)methyl]propan-1-amine
CID 62708007

Frequently Asked Questions

What is the IUPAC name of 2-[3-(chloromethyl)-1-cyclopropyl-2,2-dimethylcyclopropyl]thiophene?
The IUPAC name of 2-[3-(chloromethyl)-1-cyclopropyl-2,2-dimethylcyclopropyl]thiophene (CID 130489133) is 2-[3-(chloromethyl)-1-cyclopropyl-2,2-dimethylcyclopropyl]thiophene.
What is the SMILES notation for 2-[3-(chloromethyl)-1-cyclopropyl-2,2-dimethylcyclopropyl]thiophene?
The canonical SMILES for 2-[3-(chloromethyl)-1-cyclopropyl-2,2-dimethylcyclopropyl]thiophene is CC1(C)C(CCl)C1(c1cccs1)C1CC1.
What is the InChIKey of 2-[3-(chloromethyl)-1-cyclopropyl-2,2-dimethylcyclopropyl]thiophene?
The InChIKey is YLNBBFGZKPIJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClS/c1-12(2)10(8-14)13(12,9-5-6-9)11-4-3-7-15-11/h3-4,7,9-10H,5-6,8H2,1-2H3.
What are the key properties of 2-[3-(chloromethyl)-1-cyclopropyl-2,2-dimethylcyclopropyl]thiophene?
2-[3-(chloromethyl)-1-cyclopropyl-2,2-dimethylcyclopropyl]thiophene has a molecular weight of 240.80 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(chloromethyl)-1-cyclopropyl-2,2-dimethylcyclopropyl]thiophene is sourced from PubChem (CID 130489133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).